ethyl 3-[(6-bromanylpyridin-2-yl)amino]-4-cyano-5-methylsulfanyl-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[(6-bromanylpyridin-2-yl)amino]-4-cyano-5-methylsulfanyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[(6-bromo-2-pyridyl)amino]-4-cyano-5-methylsulfanyl-thiophene-2-carboxylate CAS Name: 3-[(6-bromo-2-pyridinyl)amino]-4-cyano-5-(methylthio)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[(6-bromopyridin-2-yl)amino]-4-cyano-5-methylsulfanylthiophene-2-carboxylate Traditional Name: 3-[(6-bromo-2-pyridyl)amino]-4-cyano-5-(methylthio)thiophene-2-carboxylic acid ethyl ester Formula: C14H12BrN3O2S2 MolecularWeight: 398.29798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)SC)C#N)NC2=NC(=CC=C2)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)SC)C#N)NC2=NC(=CC=C2)Br

InChI

InChI=1S/C14H12BrN3O2S2/c1-3-20-13(19)12-11(8(7-16)14(21-2)22-12)18-10-6-4-5-9(15)17-10/h4-6H,3H2,1-2H3,(H,17,18)